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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813751

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TP9(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]AMINO}-3-MERCAPTOPENT-
3-EN-1-YL TRIHYDROGEN DIPHOSPHATE
A,B,C,D2IHU0.75
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM
A,B2F170.7
PYI1-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-METHYLPYRIDINIUM
A,B3D2V0.7
THYC2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATEA,B2BEV0.91
HE32-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATEA,B1OZG0.71
HE32-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATEA,B,C,D1OZH0.71
AYDA,B1N0H0.73
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F2PAN0.99
TDPTHIAMIN DIPHOSPHATEA,B1OLX0.99
TDPTHIAMIN DIPHOSPHATEA,B1X7Z0.99
TDPTHIAMIN DIPHOSPHATEA,B1V110.99
TDPTHIAMIN DIPHOSPHATEA,B2BFB0.99
TDPTHIAMIN DIPHOSPHATEA,B1PYD0.99
TDPTHIAMIN DIPHOSPHATEA,B1OLS0.99
TDPTHIAMIN DIPHOSPHATEA,B1OLU0.99
TDPTHIAMIN DIPHOSPHATEA,B1V1M0.99
TDPTHIAMIN DIPHOSPHATEA,B1X7W0.99
TDPTHIAMIN DIPHOSPHATEA,B,C,D2O1X0.99
TDPTHIAMIN DIPHOSPHATEA,B2QTA0.99
TDPTHIAMIN DIPHOSPHATEA,C,E,G1W880.99
TDPTHIAMIN DIPHOSPHATEA2FWN0.99
TDPTHIAMIN DIPHOSPHATEA,B3EY90.99
TDPTHIAMIN DIPHOSPHATEA,B,C,D2O1S0.99
TDPTHIAMIN DIPHOSPHATEA,B1DTW0.99
TDPTHIAMIN DIPHOSPHATEA,B1X7Y0.99
TDPTHIAMIN DIPHOSPHATEA,B1X7X0.99
TDPTHIAMIN DIPHOSPHATEA,B1U5B0.99
TDPTHIAMIN DIPHOSPHATEA,C1UMD0.99
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.99
TDPTHIAMIN DIPHOSPHATEA,B2BFE0.99
TDPTHIAMIN DIPHOSPHATEA,C,D1UMC0.99
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F,
G,H
1W850.99
TDPTHIAMIN DIPHOSPHATEA,B1X800.99
TDPTHIAMIN DIPHOSPHATEA,C1UMB0.99
TDPTHIAMIN DIPHOSPHATEA,B1V160.99
TDPTHIAMIN DIPHOSPHATEA,B1QS00.99
TDPTHIAMIN DIPHOSPHATEA,B1L8A0.99
TDPTHIAMIN DIPHOSPHATEA,B2BFD0.99
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
3EYA0.99
TDPTHIAMIN DIPHOSPHATEA,B2IEA0.99
TDK3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-2-{(1S)-1-HYDROXY-1-
[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-
5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2G280.94
TDK3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-2-{(1S)-1-HYDROXY-1-
[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-
5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2QTC0.94
TDK3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-2-{(1S)-1-HYDROXY-1-
[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-
5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2EZ90.94
TDK3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-2-{(1S)-1-HYDROXY-1-
[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-
5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2G250.94
TPSTHIAMIN PHOSPHATEA,B3C9T1
TPSTHIAMIN PHOSPHATEA2HOM1
TPSTHIAMIN PHOSPHATEA,B1G4S1
TPSTHIAMIN PHOSPHATEA,B,C,D2QRY1
TPSTHIAMIN PHOSPHATEA,B2TPS1
WWFC2-1-HYDROXY-3-METHYL-BUTYL-THIAMINA,B1WCI0.9
T6F2-C-{3-[(4-amino-2-methylpyrimidin-
5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium-2-yl}-
6-O-phosphono-D-glucitol
A,B2R8P0.82
N1TA,B1TKB0.77
TPW2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-3-METHYLTHIOPHEN-2-
YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B,C,D,E,G3DVA0.74
TPW2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-3-METHYLTHIOPHEN-2-
YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2JI60.74
TPW2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-3-METHYLTHIOPHEN-2-
YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2Q5J0.74
TPW2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-3-METHYLTHIOPHEN-2-
YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2Q5Q0.74
TPW2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-3-METHYLTHIOPHEN-2-
YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2JI90.74
TPW2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-3-METHYLTHIOPHEN-2-
YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B,C,D,E,F,
G,H
3DV00.74
TPW2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-3-METHYLTHIOPHEN-2-
YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2Q5O0.74
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
A,B,C,D3FZN0.76
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
A,B3D7K0.76
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
X3FSJ0.76
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B2HH90.93
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1SBR0.93
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1IG00.93
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1IG30.93
2TP2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYRIMIDIN-
5-YL]METHYL}-4-METHYL-2,3-DIHYDRO-
1,3-THIAZOL-5-YL)ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2C3U0.97
FTP3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-
5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-
ETHYL)-THIAZOL-3-IUM
A,B1G4T0.96
THD2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-
2-(1,2-DIHYDROXYETHYL)-4-METHYL-
1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A,B1GPU0.76
HTL2-ACETYL-THIAMINE DIPHOSPHATEA,B2EZU0.93
HTL2-ACETYL-THIAMINE DIPHOSPHATEA,B2C3Y0.93
HTL2-ACETYL-THIAMINE DIPHOSPHATEA1V5G0.93
HTL2-ACETYL-THIAMINE DIPHOSPHATEA,B2UZA0.93
HTL2-ACETYL-THIAMINE DIPHOSPHATEA,B1KEK0.93
M6TA,B1TKC0.93
TDL3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-
5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2EZ80.86
N3TA,B1TKA0.73
THWC2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATEA,B2BEW0.76
TPPTHIAMINE DIPHOSPHATEA2HOK0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2VK80.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2AG10.99
TPPTHIAMINE DIPHOSPHATEA,B2PDA0.99
TPPTHIAMINE DIPHOSPHATEA,B1JSC0.99
TPPTHIAMINE DIPHOSPHATEA1BFD0.99
TPPTHIAMINE DIPHOSPHATEA,B2C3M0.99
TPPTHIAMINE DIPHOSPHATEA1Z8N0.99
TPPTHIAMINE DIPHOSPHATEA,B2JLC0.99
TPPTHIAMINE DIPHOSPHATEA,B2C3O0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2VK40.99
TPPTHIAMINE DIPHOSPHATEA3E780.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2OZL0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D,E,F,
G,H
3EXF0.99
TPPTHIAMINE DIPHOSPHATEA,B1NGS0.99
TPPTHIAMINE DIPHOSPHATEA,B2Q270.99
TPPTHIAMINE DIPHOSPHATEA,B1POX0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2IHV0.99
TPPTHIAMINE DIPHOSPHATEA,B,C1ITZ0.99
TPPTHIAMINE DIPHOSPHATEA,B1N0H0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2IHT0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2VK10.99
TPPTHIAMINE DIPHOSPHATEA2HOL0.99
TPPTHIAMINE DIPHOSPHATEB2VBF0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D,E,F,
G,H
3EXE0.99
TPPTHIAMINE DIPHOSPHATEA,B2Q280.99
TPPTHIAMINE DIPHOSPHATEA,B1QPB0.99
TPPTHIAMINE DIPHOSPHATEA2HOJ0.99
TPPTHIAMINE DIPHOSPHATEA,B2Q290.99
TPPTHIAMINE DIPHOSPHATEA,B1R9J0.99
TPPTHIAMINE DIPHOSPHATEA,B3C9U0.99
TPPTHIAMINE DIPHOSPHATEA,B1B0P0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D1UPA0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D,E,F,
G,H
2VBI0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D1NI40.99
TPPTHIAMINE DIPHOSPHATEA3E790.99
TPPTHIAMINE DIPHOSPHATEA,B3D2G0.99
TPPTHIAMINE DIPHOSPHATEA,B2JI80.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D1UPB0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2JLA0.99
TPPTHIAMINE DIPHOSPHATEA,B2PGO0.99
TPPTHIAMINE DIPHOSPHATEA,B1POW0.99
TPPTHIAMINE DIPHOSPHATEA,B2CKY0.99
TPPTHIAMINE DIPHOSPHATEA3EKI0.99
TPPTHIAMINE DIPHOSPHATEA,B2PGN0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2VJY0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2UZ10.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2W930.99
TPPTHIAMINE DIPHOSPHATEA,B1QGD0.99
TPPTHIAMINE DIPHOSPHATEA,B2EZ40.99
TPPTHIAMINE DIPHOSPHATEA,B2JIB0.99
TPPTHIAMINE DIPHOSPHATEA,B1AY00.99
TPPTHIAMINE DIPHOSPHATEA1V5F0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D1Y9D0.99
TPPTHIAMINE DIPHOSPHATEA,B1OZF0.99
TPPTHIAMINE DIPHOSPHATEA,B2C420.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D,E,F1UPC0.99
TPPTHIAMINE DIPHOSPHATEA,B2R5N0.99
TPPTHIAMINE DIPHOSPHATEA,B1TRK0.99
TPPTHIAMINE DIPHOSPHATEA,B2NXW0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2V3W0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D1OVM0.99
TPPTHIAMINE DIPHOSPHATEX,Y2GDI0.99
TPPTHIAMINE DIPHOSPHATEA,B,C,D2AG00.99
TPPTHIAMINE DIPHOSPHATEA,C,E,G3EXH0.99
TPPTHIAMINE DIPHOSPHATEA,B1PVD0.99
VNP3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-5-(2-{[HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2G9Z0.99
TDM2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-
4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-
5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2EZT0.79
TDM2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-
4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-
5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A3E9Y0.79
TDM2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-
4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-
5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A3EA40.79
THVC2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATEA,B,C,D2J9F0.92
THVC2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATEA,B2BEU0.92
D2X3-[(4-hydroxy-2-methylpyrimidin-
5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
A,B3D2X0.89
DPXMONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-
5-YLMETHYL)-AMINO]-2-HYDROXY-3-
MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER
A,B,E,F1ZPD0.71
T5X2-C-{3-[(4-amino-2-methylpyrimidin-
5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium-2-yl}-
5-O-phosphono-D-xylitol
A,B2R8O0.85
1TP1-(2-{(2S,4R,5R)-3-[(4-AMINO-2-
METHYLPYRIMIDIN-5-YL)METHYL]-2-
[(1S)-1-CARBOXY-1-HYDROXYETHYL]-
4-METHYL-1,3-THIAZOLIDIN-5-YL}ETHOXY)-
1,1,3,3-TETRAHYDROXY-1LAMBDA~5~-
DIPHOSPHOX-1-EN-2-IUM 3-OXIDE
A,B2C3P0.72
8PA3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
2-[(1S,2E)-1-hydroxy-3-pyridin-
3-ylprop-2-en-1-yl]-4-methyl-1,3-
thiazol-3-ium
X3F6E0.77
8PA3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
2-[(1S,2E)-1-hydroxy-3-pyridin-
3-ylprop-2-en-1-yl]-4-methyl-1,3-
thiazol-3-ium
X3F6B0.77
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B1RP70.78
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1PO70.78
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A2FN30.78
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2BFF0.78
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2C310.78
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2BFC0.78
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1Q6Z0.78
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1PI30.78
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1YNO0.78
TP85-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
2-[(1Z)-1-HYDROXY-3-(PHOSPHONOOXY)PROP-
1-EN-1-YL]-3-{[(4Z)-4-IMINO-2-METHYL-
4,5-DIHYDROPYRIMIDIN-5-YL]METHYL}-
4-METHYL-1,3-THIAZOL-3-IUM
A,B,C,D2IHU0.71